ChemCpp is a C++ toolbox for chemoinformatics focusing on the computation of kernel functions between chemical compounds. Together with Support Vector Machines, these kernel functions find natural applications for virtual screening of molecules.
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changes: -modification of method MoleculeSet::diversityBaryMean() used by "gram2diversity" tool. --> fixed a bug.
1st public release - March 2006, 22nd - PM-JLP.
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